mirror of
https://github.com/dptech-corp/Uni-Lab-OS.git
synced 2026-02-09 00:15:10 +00:00
protocol完整修复版本& bump version to 0.9.10
This commit is contained in:
KCFeng425
@@ -1,7 +1,6 @@
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from typing import List, Dict, Any, Optional
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import networkx as nx
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import logging
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from .pump_protocol import generate_pump_protocol
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logger = logging.getLogger(__name__)
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@@ -10,100 +9,101 @@ def debug_print(message):
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print(f"[EVAPORATE] {message}", flush=True)
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logger.info(f"[EVAPORATE] {message}")
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def get_vessel_liquid_volume(G: nx.DiGraph, vessel: str) -> float:
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"""获取容器中的液体体积"""
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debug_print(f"检查容器 '{vessel}' 的液体体积...")
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def find_rotavap_device(G: nx.DiGraph, vessel: str = None) -> Optional[str]:
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"""
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在组态图中查找旋转蒸发仪设备
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if vessel not in G.nodes():
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debug_print(f"容器 '{vessel}' 不存在")
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return 0.0
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Args:
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G: 设备图
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vessel: 指定的设备名称（可选）
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vessel_data = G.nodes[vessel].get('data', {})
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debug_print(f"容器数据: {vessel_data}")
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# 检查多种体积字段
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volume_keys = ['total_volume', 'volume', 'liquid_volume', 'current_volume']
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for key in volume_keys:
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if key in vessel_data:
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try:
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volume = float(vessel_data[key])
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debug_print(f"从 '{key}' 读取到体积: {volume}mL")
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return volume
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except (ValueError, TypeError):
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continue
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# 检查liquid数组
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liquids = vessel_data.get('liquid', [])
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if isinstance(liquids, list):
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total_volume = 0.0
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for liquid in liquids:
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if isinstance(liquid, dict):
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for vol_key in ['liquid_volume', 'volume', 'amount']:
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if vol_key in liquid:
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try:
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vol = float(liquid[vol_key])
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total_volume += vol
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debug_print(f"从液体数据 '{vol_key}' 读取: {vol}mL")
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except (ValueError, TypeError):
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continue
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if total_volume > 0:
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return total_volume
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debug_print(f"未检测到液体体积，返回 0.0")
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return 0.0
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def find_rotavap_device(G: nx.DiGraph) -> Optional[str]:
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"""查找旋转蒸发仪设备"""
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Returns:
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str: 找到的旋转蒸发仪设备ID，如果没找到返回None
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"""
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debug_print("查找旋转蒸发仪设备...")
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# 查找各种可能的旋转蒸发仪设备
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possible_devices = []
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for node in G.nodes():
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node_data = G.nodes[node]
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# 如果指定了vessel，先检查是否存在且是旋转蒸发仪
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if vessel:
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if vessel in G.nodes():
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node_data = G.nodes[vessel]
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node_class = node_data.get('class', '')
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node_type = node_data.get('type', '')
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debug_print(f"检查指定设备 {vessel}: class={node_class}, type={node_type}")
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# 检查是否为旋转蒸发仪
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if any(keyword in str(node_class).lower() for keyword in ['rotavap', 'rotary', 'evaporat']):
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debug_print(f"✓ 找到指定的旋转蒸发仪: {vessel}")
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return vessel
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elif node_type == 'device':
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debug_print(f"✓ 指定设备存在，尝试直接使用: {vessel}")
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return vessel
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else:
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debug_print(f"✗ 指定的设备 {vessel} 不存在")
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# 在所有设备中查找旋转蒸发仪
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rotavap_candidates = []
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for node_id, node_data in G.nodes(data=True):
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node_class = node_data.get('class', '')
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node_type = node_data.get('type', '')
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if any(keyword in node_class.lower() for keyword in ['rotavap', 'evaporator']):
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possible_devices.append(node)
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debug_print(f"找到旋转蒸发仪设备: {node}")
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# 跳过非设备节点
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if node_type != 'device':
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continue
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# 检查设备类型
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if any(keyword in str(node_class).lower() for keyword in ['rotavap', 'rotary', 'evaporat']):
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rotavap_candidates.append(node_id)
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debug_print(f"✓ 找到旋转蒸发仪候选: {node_id} (class: {node_class})")
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elif any(keyword in str(node_id).lower() for keyword in ['rotavap', 'rotary', 'evaporat']):
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rotavap_candidates.append(node_id)
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debug_print(f"✓ 找到旋转蒸发仪候选 (按名称): {node_id}")
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if possible_devices:
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return possible_devices[0]
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if rotavap_candidates:
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selected = rotavap_candidates[0] # 选择第一个找到的
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debug_print(f"✓ 选择旋转蒸发仪: {selected}")
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return selected
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debug_print("未找到旋转蒸发仪设备")
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debug_print("✗ 未找到旋转蒸发仪设备")
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return None
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def find_rotavap_vessel(G: nx.DiGraph) -> Optional[str]:
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"""查找旋转蒸发仪样品容器"""
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debug_print("查找旋转蒸发仪样品容器...")
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def find_connected_vessel(G: nx.DiGraph, rotavap_device: str) -> Optional[str]:
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"""
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查找与旋转蒸发仪连接的容器
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possible_vessels = [
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"rotavap", "rotavap_flask", "flask_rotavap",
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"evaporation_flask", "evaporator", "rotary_evaporator"
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]
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Args:
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G: 设备图
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rotavap_device: 旋转蒸发仪设备ID
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for vessel in possible_vessels:
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if vessel in G.nodes():
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debug_print(f"找到旋转蒸发仪样品容器: {vessel}")
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return vessel
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Returns:
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str: 连接的容器ID，如果没找到返回None
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"""
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debug_print(f"查找与 {rotavap_device} 连接的容器...")
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debug_print("未找到旋转蒸发仪样品容器")
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return None
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def find_recovery_vessel(G: nx.DiGraph) -> Optional[str]:
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"""查找溶剂回收容器"""
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debug_print("查找溶剂回收容器...")
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# 查看旋转蒸发仪的子设备
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rotavap_data = G.nodes[rotavap_device]
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children = rotavap_data.get('children', [])
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possible_vessels = [
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"flask_distillate", "distillate", "solvent_recovery",
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"rotavap_condenser", "condenser", "waste_workup", "waste"
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]
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for child_id in children:
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if child_id in G.nodes():
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child_data = G.nodes[child_id]
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child_type = child_data.get('type', '')
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if child_type == 'container':
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debug_print(f"✓ 找到连接的容器: {child_id}")
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return child_id
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for vessel in possible_vessels:
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if vessel in G.nodes():
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debug_print(f"找到回收容器: {vessel}")
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return vessel
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# 查看邻接的容器
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for neighbor in G.neighbors(rotavap_device):
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neighbor_data = G.nodes[neighbor]
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neighbor_type = neighbor_data.get('type', '')
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if neighbor_type == 'container':
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debug_print(f"✓ 找到邻接的容器: {neighbor}")
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return neighbor
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debug_print("未找到回收容器")
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debug_print("✗ 未找到连接的容器")
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return None
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def generate_evaporate_protocol(
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@@ -111,22 +111,22 @@ def generate_evaporate_protocol(
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vessel: str,
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pressure: float = 0.1,
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temp: float = 60.0,
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time: float = 1800.0,
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time: float = 180.0,
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stir_speed: float = 100.0,
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solvent: str = "",
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**kwargs # 接受任意额外参数，增强兼容性
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) -> List[Dict[str, Any]]:
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"""
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生成蒸发操作的协议序列 - 增强兼容性版本
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生成蒸发操作的协议序列
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Args:
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G: 设备图
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vessel: 蒸发容器名称（必需）
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vessel: 容器名称或旋转蒸发仪名称
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pressure: 真空度 (bar)，默认0.1
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temp: 加热温度 (°C)，默认60
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time: 蒸发时间 (秒)，默认1800
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time: 蒸发时间 (秒)，默认180
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stir_speed: 旋转速度 (RPM)，默认100
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solvent: 溶剂名称（可选，用于参数优化）
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solvent: 溶剂名称（用于参数优化）
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**kwargs: 其他参数（兼容性）
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Returns:
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@@ -142,20 +142,43 @@ def generate_evaporate_protocol(
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debug_print(f" - time: {time}s ({time/60:.1f}分钟)")
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debug_print(f" - stir_speed: {stir_speed} RPM")
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debug_print(f" - solvent: '{solvent}'")
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debug_print(f" - 其他参数: {kwargs}")
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debug_print("=" * 50)
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action_sequence = []
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# === 步骤1: 查找旋转蒸发仪设备 ===
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debug_print("步骤1: 查找旋转蒸发仪设备...")
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# === 参数验证和修正 ===
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debug_print("步骤1: 参数验证和修正...")
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# 验证必需参数
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# 验证vessel参数
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if not vessel:
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raise ValueError("vessel 参数不能为空")
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if vessel not in G.nodes():
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raise ValueError(f"容器 '{vessel}' 不存在于系统中")
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# 查找旋转蒸发仪设备
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rotavap_device = find_rotavap_device(G, vessel)
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if not rotavap_device:
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raise ValueError(f"未找到旋转蒸发仪设备。请检查组态图中是否包含 class 包含 'rotavap'、'rotary' 或 'evaporat' 的设备")
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# === 步骤2: 确定目标容器 ===
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debug_print("步骤2: 确定目标容器...")
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target_vessel = vessel
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# 如果vessel就是旋转蒸发仪设备，查找连接的容器
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if vessel == rotavap_device:
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connected_vessel = find_connected_vessel(G, rotavap_device)
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if connected_vessel:
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target_vessel = connected_vessel
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debug_print(f"使用连接的容器: {target_vessel}")
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else:
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debug_print(f"未找到连接的容器，使用设备本身: {rotavap_device}")
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target_vessel = rotavap_device
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elif vessel in G.nodes() and G.nodes[vessel].get('type') == 'container':
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debug_print(f"使用指定的容器: {vessel}")
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target_vessel = vessel
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else:
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debug_print(f"容器 '{vessel}' 不存在或类型不正确，使用旋转蒸发仪设备: {rotavap_device}")
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target_vessel = rotavap_device
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# === 步骤3: 参数验证和修正 ===
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debug_print("步骤3: 参数验证和修正...")
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# 修正参数范围
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if pressure <= 0 or pressure > 1.0:
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@@ -194,61 +217,10 @@ def generate_evaporate_protocol(
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debug_print(f"最终参数: pressure={pressure}, temp={temp}, time={time}, stir_speed={stir_speed}")
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# === 查找设备 ===
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debug_print("步骤2: 查找设备...")
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# 查找旋转蒸发仪设备
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rotavap_device = find_rotavap_device(G)
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if not rotavap_device:
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debug_print("未找到旋转蒸发仪设备，使用通用设备")
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rotavap_device = "rotavap_1" # 默认设备ID
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# 查找旋转蒸发仪样品容器
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rotavap_vessel = find_rotavap_vessel(G)
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if not rotavap_vessel:
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debug_print("未找到旋转蒸发仪样品容器，使用默认容器")
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rotavap_vessel = "rotavap" # 默认容器
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# 查找回收容器
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recovery_vessel = find_recovery_vessel(G)
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debug_print(f"设备配置:")
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debug_print(f" - 旋转蒸发仪设备: {rotavap_device}")
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debug_print(f" - 样品容器: {rotavap_vessel}")
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debug_print(f" - 回收容器: {recovery_vessel}")
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# === 体积计算 ===
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debug_print("步骤3: 体积计算...")
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source_volume = get_vessel_liquid_volume(G, vessel)
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if source_volume > 0:
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transfer_volume = min(source_volume * 0.9, 250.0) # 90%或最多250mL
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debug_print(f"检测到液体体积 {source_volume}mL，转移 {transfer_volume}mL")
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else:
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transfer_volume = 50.0 # 默认小体积，更安全
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debug_print(f"未检测到液体体积，使用默认转移体积 {transfer_volume}mL")
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# === 生成动作序列 ===
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# === 步骤4: 生成动作序列 ===
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debug_print("步骤4: 生成动作序列...")
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# 动作1: 转移溶液到旋转蒸发仪
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if vessel != rotavap_vessel:
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debug_print(f"转移 {transfer_volume}mL 从 {vessel} 到 {rotavap_vessel}")
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try:
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transfer_actions = generate_pump_protocol(
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G=G,
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from_vessel=vessel,
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to_vessel=rotavap_vessel,
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volume=transfer_volume,
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flowrate=2.0,
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transfer_flowrate=2.0
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)
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action_sequence.extend(transfer_actions)
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debug_print(f"添加了 {len(transfer_actions)} 个转移动作")
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except Exception as e:
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debug_print(f"转移失败: {str(e)}")
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# 继续执行，不中断整个流程
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action_sequence = []
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# 等待稳定
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action_sequence.append({
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@@ -256,13 +228,13 @@ def generate_evaporate_protocol(
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"action_kwargs": {"time": 10}
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})
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# 动作2: 执行蒸发
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debug_print(f"执行蒸发: {rotavap_device}")
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# 执行蒸发
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debug_print(f"执行蒸发: 设备={rotavap_device}, 容器={target_vessel}")
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evaporate_action = {
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"device_id": rotavap_device,
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"action_name": "evaporate",
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"action_kwargs": {
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"vessel": rotavap_vessel,
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"vessel": target_vessel,
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"pressure": pressure,
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"temp": temp,
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"time": time,
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@@ -278,47 +250,12 @@ def generate_evaporate_protocol(
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"action_kwargs": {"time": 30}
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})
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# 动作3: 回收溶剂（如果有回收容器）
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if recovery_vessel:
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debug_print(f"回收溶剂到 {recovery_vessel}")
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try:
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recovery_volume = transfer_volume * 0.7 # 估算回收70%
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recovery_actions = generate_pump_protocol(
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G=G,
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from_vessel="rotavap_condenser", # 假设的冷凝器
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to_vessel=recovery_vessel,
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volume=recovery_volume,
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flowrate=3.0,
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transfer_flowrate=3.0
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)
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action_sequence.extend(recovery_actions)
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debug_print(f"添加了 {len(recovery_actions)} 个回收动作")
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except Exception as e:
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debug_print(f"溶剂回收失败: {str(e)}")
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# 动作4: 转移浓缩物回原容器
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if vessel != rotavap_vessel:
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debug_print(f"转移浓缩物从 {rotavap_vessel} 到 {vessel}")
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try:
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concentrate_volume = transfer_volume * 0.2 # 估算浓缩物20%
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transfer_back_actions = generate_pump_protocol(
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G=G,
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from_vessel=rotavap_vessel,
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to_vessel=vessel,
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volume=concentrate_volume,
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flowrate=1.0, # 浓缩物可能粘稠
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transfer_flowrate=1.0
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)
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action_sequence.extend(transfer_back_actions)
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debug_print(f"添加了 {len(transfer_back_actions)} 个转移回收动作")
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except Exception as e:
|
||||
debug_print(f"浓缩物转移失败: {str(e)}")
|
||||
|
||||
# === 总结 ===
|
||||
debug_print("=" * 50)
|
||||
debug_print(f"蒸发协议生成完成")
|
||||
debug_print(f"总动作数: {len(action_sequence)}")
|
||||
debug_print(f"处理体积: {transfer_volume}mL")
|
||||
debug_print(f"旋转蒸发仪: {rotavap_device}")
|
||||
debug_print(f"目标容器: {target_vessel}")
|
||||
debug_print(f"蒸发参数: {pressure} bar, {temp}°C, {time}s, {stir_speed} RPM")
|
||||
debug_print("=" * 50)
|
||||
|
||||
|
||||
Reference in New Issue
Block a user